5-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[(4-chlorophenyl)methylthio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-chlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(4-chlorobenzyl)thio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H13ClN3S2- MolecularWeight: 346.87752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3S2/c17-13-8-6-12(7-9-13)10-22-11-15-18-19-16(21)20(15)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21)/p-1